1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide

C12H21N3O — CID 115437189

IUPAC1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15(9-5-8-13)11(16)12(10-14)6-3-2-4-7-12/h2-7,9-10,14H2,1H3
InChIKeyHCRXPWKBGBRWLE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds4

About 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115437189) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115437189
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15(9-5-8-13)11(16)12(10-14)6-3-2-4-7-12/h2-7,9-10,14H2,1H3
InChIKeyHCRXPWKBGBRWLE-UHFFFAOYSA-N
XLogP1.27
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 115434739
1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid
CID 115435126
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80598806

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide (CID 115437189) is 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide is CN(CCC#N)C(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is HCRXPWKBGBRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15(9-5-8-13)11(16)12(10-14)6-3-2-4-7-12/h2-7,9-10,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115437189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).